2-cycloheptyl-1-naphthalen-1-ylethanamine

C19H25N — CID 114457695

IUPAC2-cycloheptyl-1-naphthalen-1-ylethanamine
SMILESNC(CC1CCCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H25N/c20-19(14-15-8-3-1-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-13,15,19H,1-4,8-9,14,20H2
InChIKeyGKQPTRQOLGVVJX-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.20
Rot. Bonds3

About 2-cycloheptyl-1-naphthalen-1-ylethanamine

2-cycloheptyl-1-naphthalen-1-ylethanamine (PubChem CID 114457695) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-cycloheptyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-naphthalen-1-ylethanamine
PubChem CID114457695
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-cycloheptyl-1-naphthalen-1-ylethanamine
SMILESNC(CC1CCCCCC1)c1cccc2ccccc12
InChIInChI=1S/C19H25N/c20-19(14-15-8-3-1-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-13,15,19H,1-4,8-9,14,20H2
InChIKeyGKQPTRQOLGVVJX-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
2-cyclohexyl-1-quinoxalin-5-ylethanamine
CID 105135471
(2-cyclopropyl-1-naphthalen-1-ylethyl)hydrazine
CID 105213175
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
2-cycloheptyl-1-phenylethanamine
CID 21261900
(1R)-2-cyclopentyl-1-(2-piperidin-1-ylphenyl)ethanamine
CID 129363780
(3-cyclohexyl-1-naphthalen-1-ylpropyl)hydrazine
CID 105301235
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-cycloheptyl-1-naphthalen-1-ylethanamine (CID 114457695) is 2-cycloheptyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-cycloheptyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-cycloheptyl-1-naphthalen-1-ylethanamine is NC(CC1CCCCCC1)c1cccc2ccccc12.
What is the InChIKey of 2-cycloheptyl-1-naphthalen-1-ylethanamine?
The InChIKey is GKQPTRQOLGVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c20-19(14-15-8-3-1-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h5-7,10-13,15,19H,1-4,8-9,14,20H2.
What are the key properties of 2-cycloheptyl-1-naphthalen-1-ylethanamine?
2-cycloheptyl-1-naphthalen-1-ylethanamine has a molecular weight of 267.42 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 114457695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).